2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid

C17H26N4O2 — CID 70190541

IUPAC2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(CN2CCN(c3ccnnc3)CC2)CC1
InChIInChI=1S/C17H26N4O2/c22-17(23)11-14-1-3-15(4-2-14)13-20-7-9-21(10-8-20)16-5-6-18-19-12-16/h5-6,12,14-15H,1-4,7-11,13H2,(H,22,23)
InChIKeyLHTWRLJNSWTKJT-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.88
Rot. Bonds5

About 2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid

2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid (PubChem CID 70190541) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid
PubChem CID70190541
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(CN2CCN(c3ccnnc3)CC2)CC1
InChIInChI=1S/C17H26N4O2/c22-17(23)11-14-1-3-15(4-2-14)13-20-7-9-21(10-8-20)16-5-6-18-19-12-16/h5-6,12,14-15H,1-4,7-11,13H2,(H,22,23)
InChIKeyLHTWRLJNSWTKJT-UHFFFAOYSA-N
XLogP1.88
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid (CID 70190541) is 2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid is O=C(O)CC1CCC(CN2CCN(c3ccnnc3)CC2)CC1.
What is the InChIKey of 2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid?
The InChIKey is LHTWRLJNSWTKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-17(23)11-14-1-3-15(4-2-14)13-20-7-9-21(10-8-20)16-5-6-18-19-12-16/h5-6,12,14-15H,1-4,7-11,13H2,(H,22,23).
What are the key properties of 2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid?
2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid has a molecular weight of 318.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-pyridazin-4-ylpiperazin-1-yl)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 70190541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).